[
  {
    "molid": "mol22706",
    "smiles": "CNCc1ccc(C(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[NH2+]Cc1ccc(C(=O)[O-])cc1",
        "std_free_energy": -11.430113792419434,
        "relative_population": 0.9999720912786861
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH2+]Cc1ccc(C(=O)O)cc1",
        "std_free_energy": -4.4870405197143555,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.61,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]